All Stories

  1. Madrid-2019 force field: An extension to divalent cations Sr2+ and Ba2+
  2. On the possible locus of the liquid–liquid critical point in real water from studies of supercooled water using the TIP4P/Ice model
  3. Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
  4. Scaled charges for ions: An improvement but not the final word for modeling electrolytes in water
  5. Melting points of water models: Current situation
  6. Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field
  7. The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F−, Br−, I−, Rb+, and Cs+
  8. On the thermodynamics of curved interfaces and the nucleation of hard spheres in a finite system
  9. The Young–Laplace equation for a solid–liquid interface
  10. Antifreeze proteins and homogeneous nucleation: On the physical determinants impeding ice crystal growth
  11. Interfacial free energy of a liquid-solid interface: Its change with curvature
  12. A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl−, and SO42− in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions
  13. Ice growth rate: Temperature dependence and effect of heat dissipation
  14. Breakdown of the law of rectilinear diameter and related surprises in the liquid-vapor coexistence in systems of patchy particles
  15. How to accurately model the partition of cholesterol between water and octanol